General Information of the Compound
| Compound ID |
CP0243641
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| Compound Name |
US9340555, 26
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| Structure |
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| Formula |
C31H31F2N5O7S
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| Molecular Weight |
655.68
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| Canonical SMILES |
COC(=O)CN(CCCNC(=O)c1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)ccc4F)c(F)c3)c2s1)CC(=O)OC
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| InChI |
InChI=1S/C31H31F2N5O7S/c1-18-5-7-20(32)23(13-18)37-31(42)36-22-8-6-19(14-21(22)33)45-25-9-11-34-24-15-26(46-29(24)25)30(41)35-10-4-12-38(16-27(39)43-2)17-28(40)44-3/h5-9,11,13-15H,4,10,12,16-17H2,1-3H3,(H,35,41)(H2,36,37,42)
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| InChIKey |
SAJGQCIKURPXJS-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound